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Ribocil-C

CAT: 1410-M12818-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M12818-02Size:50 mg
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Description
A highly selective inhibitor of the FMN riboswitch that controls expression of de novo riboflavin (Vitamin B2) biosynthesis in Escherichia coli.
CAS Number
1825355-56-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
419.5027
Molecular Formula
C21H21N7OS
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

Ribocil-C
CAS Number1825355-56-3
PubChem CID136981150
IUPAC Name2-[(3S)-1-[(1-pyrimidin-2-ylimidazol-4-yl)methyl]piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
Molecular FormulaC21H21N7OS
Molecular Weight419.5
XLogP1
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity693
SMILES
C1C[C@@H](CN(C1)CC2=CN(C=N2)C3=NC=CC=N3)C4=NC(=CC(=O)N4)C5=CC=CS5
InChI
InChI=1S/C21H21N7OS/c29-19-10-17(18-5-2-9-30-18)25-20(26-19)15-4-1-8-27(11-15)12-16-13-28(14-24-16)21-22-6-3-7-23-21/h2-3,5-7,9-10,13-15H,1,4,8,11-12H2,(H,25,26,29)/t15-/m0/s1
InChIKey
UVDVCDUBJWYRJW-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Ribocil-C
CAS: 1825355-56-3
CID: 136981150
Formula: C21H21N7OS
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass419.15282949
Monoisotopic Mass419.15282949
Topological Polar Surface Area117 Ų
Heavy Atom Count30
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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